N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide

C17H23NO2S — CID 25498898

IUPACN-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)[C@H](C)SC2CCCCC2)cc1
InChIInChI=1S/C17H23NO2S/c1-12(21-16-6-4-3-5-7-16)17(20)14-8-10-15(11-9-14)18-13(2)19/h8-12,16H,3-7H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyXBVKRLKSVYJKGL-LBPRGKRZSA-N
MW305.44 g/mol
LogP4.28
Rot. Bonds5

About N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide

N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide (PubChem CID 25498898) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide
PubChem CID25498898
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)[C@H](C)SC2CCCCC2)cc1
InChIInChI=1S/C17H23NO2S/c1-12(21-16-6-4-3-5-7-16)17(20)14-8-10-15(11-9-14)18-13(2)19/h8-12,16H,3-7H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyXBVKRLKSVYJKGL-LBPRGKRZSA-N
XLogP4.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide
CID 7395629
1-(4-bromophenyl)-2-cyclohexylsulfanylpropan-1-one
CID 60644033
2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one
CID 55025258
(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide
CID 7825638
4-[[(2R)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825696
4-[[(2S)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825695
(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide
CID 7398220
N-[4-(cyclooctanecarbonyl)phenyl]acetamide
CID 65018343
cyclododecyl 4-acetamidobenzoate
CID 3973983
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483187
N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride
CID 3024747
N-[4-[(2R)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]acetamide
CID 8723572

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide (CID 25498898) is N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)[C@H](C)SC2CCCCC2)cc1.
What is the InChIKey of N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide?
The InChIKey is XBVKRLKSVYJKGL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-12(21-16-6-4-3-5-7-16)17(20)14-8-10-15(11-9-14)18-13(2)19/h8-12,16H,3-7H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide?
N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide has a molecular weight of 305.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide is sourced from PubChem (CID 25498898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).